N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-1-[(3-methoxyphenyl)methyl]piperidin-3-amine

C25H31FN4O — CID 56701607

IUPACN-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-1-[(3-methoxyphenyl)methyl]piperidin-3-amine
SMILESCOc1cccc(CN2CCCC(NCc3c(C)nn(-c4ccc(F)cc4)c3C)C2)c1
InChIInChI=1S/C25H31FN4O/c1-18-25(19(2)30(28-18)23-11-9-21(26)10-12-23)15-27-22-7-5-13-29(17-22)16-20-6-4-8-24(14-20)31-3/h4,6,8-12,14,22,27H,5,7,13,15-17H2,1-3H3
InChIKeyDRWLHODOEXJNIJ-UHFFFAOYSA-N
MW422.55 g/mol
LogP4.39
Rot. Bonds7

About N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-1-[(3-methoxyphenyl)methyl]piperidin-3-amine

N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-1-[(3-methoxyphenyl)methyl]piperidin-3-amine (PubChem CID 56701607) has the molecular formula C25H31FN4O and a molecular weight of 422.55 g/mol. Its IUPAC name is N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-1-[(3-methoxyphenyl)methyl]piperidin-3-amine.

Molecular Properties

Compound NameN-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-1-[(3-methoxyphenyl)methyl]piperidin-3-amine
PubChem CID56701607
Molecular FormulaC25H31FN4O
Molecular Weight422.55 g/mol
Exact Mass422.25
IUPAC NameN-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-1-[(3-methoxyphenyl)methyl]piperidin-3-amine
SMILESCOc1cccc(CN2CCCC(NCc3c(C)nn(-c4ccc(F)cc4)c3C)C2)c1
InChIInChI=1S/C25H31FN4O/c1-18-25(19(2)30(28-18)23-11-9-21(26)10-12-23)15-27-22-7-5-13-29(17-22)16-20-6-4-8-24(14-20)31-3/h4,6,8-12,14,22,27H,5,7,13,15-17H2,1-3H3
InChIKeyDRWLHODOEXJNIJ-UHFFFAOYSA-N
XLogP4.39
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.55
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-1-[(3-methoxyphenyl)methyl]-N-[(3-methyl-1H-indol-2-yl)methyl]piperidin-3-amine
CID 92708760
(3S)-N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]oxan-3-amine
CID 124697837
(3R)-N-[(8-methoxy-2H-chromen-3-yl)methyl]-1-[(3-methoxyphenyl)methyl]piperidin-3-amine
CID 51633437
(3S)-N-benzyl-1-[(3-fluorophenyl)methyl]piperidin-3-amine
CID 97082368
1-[(3-methoxyphenyl)methyl]-N-methylpyrrolidin-3-amine
CID 61029194
2-[(3R)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]-N-[(3-methoxyphenyl)methyl]-4-methylpyrimidine-5-carboxamide
CID 92639388
N-[(3R)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]benzenesulfonamide
CID 95708462
4-[(cyclooctylamino)methyl]-1-[(3-methoxyphenyl)methyl]-2,5-dimethylpyrrole-3-carboxylic acid
CID 20891798
1-(cyclopropylmethyl)-5-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methylamino]azepan-2-one
CID 50981127
1-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-N-methylethanamine
CID 63852701
N-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-5-methyl-1-propylpyrazole-4-carboxamide
CID 45187769
N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-4-[(4-methylpiperidin-1-yl)methyl]aniline
CID 46951838

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-1-[(3-methoxyphenyl)methyl]piperidin-3-amine?
The IUPAC name of N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-1-[(3-methoxyphenyl)methyl]piperidin-3-amine (CID 56701607) is N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-1-[(3-methoxyphenyl)methyl]piperidin-3-amine.
What is the SMILES notation for N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-1-[(3-methoxyphenyl)methyl]piperidin-3-amine?
The canonical SMILES for N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-1-[(3-methoxyphenyl)methyl]piperidin-3-amine is COc1cccc(CN2CCCC(NCc3c(C)nn(-c4ccc(F)cc4)c3C)C2)c1.
What is the InChIKey of N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-1-[(3-methoxyphenyl)methyl]piperidin-3-amine?
The InChIKey is DRWLHODOEXJNIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31FN4O/c1-18-25(19(2)30(28-18)23-11-9-21(26)10-12-23)15-27-22-7-5-13-29(17-22)16-20-6-4-8-24(14-20)31-3/h4,6,8-12,14,22,27H,5,7,13,15-17H2,1-3H3.
What are the key properties of N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-1-[(3-methoxyphenyl)methyl]piperidin-3-amine?
N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-1-[(3-methoxyphenyl)methyl]piperidin-3-amine has a molecular weight of 422.55 g/mol, XLogP of 4.39, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-1-[(3-methoxyphenyl)methyl]piperidin-3-amine is sourced from PubChem (CID 56701607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).